Sökning: "Fddd"

Hittade 1 avhandling innehållade ordet Fddd.

1. 1. Atomistic simulations of structural and dynamical properties of liquids under geometric constraints

   Författare :Lorenzo Agosta; Alexander Lyubartsev; Marialore Sulpizi; Stockholms universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; liquid; contraint; TiO2; surfaces; bio-inorganic; molecular dynamic; ab-initio; tight-binding; DFT; metadynamic; free energy; nanoparticles; water; amino acids; adsorption; mesophases; hexatic; smectic; triply periodic network; Fddd; fysikalisk kemi; Physical Chemistry;

   Sammanfattning : The statistical-mechanical description of liquids represents a formidable problem in physic due to the absence of the analytical theory of the liquid state. Atomistic simulations represent a unique source of information in this respect and can be implemented in order address macroscopically measurable liquid properties, including its structure and dynamics, based on the information of the interactions between its constituent molecules. LÄS MER